5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C6H7FN4O2 — CID 141078029

IUPAC5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(F)nn2)O1
InChIInChI=1S/C6H7FN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12)
InChIKeyVTLRBIPCBJGVKZ-UHFFFAOYSA-N
MW186.15 g/mol
LogP-0.47
Rot. Bonds2

About 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141078029) has the molecular formula C6H7FN4O2 and a molecular weight of 186.15 g/mol. Its IUPAC name is 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141078029
Molecular FormulaC6H7FN4O2
Molecular Weight186.15 g/mol
Exact Mass186.06
IUPAC Name5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(F)nn2)O1
InChIInChI=1S/C6H7FN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12)
InChIKeyVTLRBIPCBJGVKZ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(Fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58840986
5-[[4-(Trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141077997
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
3-Methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58836482
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
(5R)-3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 90455204
5-[(4-Chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078016
5-[(4-Hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078030
5-(Triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 142658527
5-(Triazol-1-yl)-1,3-oxazolidin-2-one
CID 142674296
[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate
CID 175358391

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141078029) is 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(F)nn2)O1.
What is the InChIKey of 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is VTLRBIPCBJGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12).
What are the key properties of 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 186.15 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).